N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide

C23H16ClNO4S2 — CID 155564096

IUPACN-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1)c1cccc(O)c1Cl
InChIInChI=1S/C23H16ClNO4S2/c24-22-18(10-5-11-19(22)26)23(27)21-13-12-20(30-21)15-6-4-7-16(14-15)25-31(28,29)17-8-2-1-3-9-17/h1-14,25-26H
InChIKeyBYONQZJFCLEVGK-UHFFFAOYSA-N
MW469.97 g/mol
LogP5.81
Rot. Bonds6

About N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide

N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide (PubChem CID 155564096) has the molecular formula C23H16ClNO4S2 and a molecular weight of 469.97 g/mol. Its IUPAC name is N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
PubChem CID155564096
Molecular FormulaC23H16ClNO4S2
Molecular Weight469.97 g/mol
Exact Mass469.02
IUPAC NameN-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1)c1cccc(O)c1Cl
InChIInChI=1S/C23H16ClNO4S2/c24-22-18(10-5-11-19(22)26)23(27)21-13-12-20(30-21)15-6-4-7-16(14-15)25-31(28,29)17-8-2-1-3-9-17/h1-14,25-26H
InChIKeyBYONQZJFCLEVGK-UHFFFAOYSA-N
XLogP5.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide (CID 155564096) is N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide is O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1)c1cccc(O)c1Cl.
What is the InChIKey of N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The InChIKey is BYONQZJFCLEVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO4S2/c24-22-18(10-5-11-19(22)26)23(27)21-13-12-20(30-21)15-6-4-7-16(14-15)25-31(28,29)17-8-2-1-3-9-17/h1-14,25-26H.
What are the key properties of N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide has a molecular weight of 469.97 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-chloro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 155564096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).